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CHEBI:222664 - Elsamicin A
| Formula | C33H35NO13 |
| Net Charge | 0 |
| Average Mass | 653.637 |
| Monoisotopic Mass | 653.21084 |
| SMILES | CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O |
| InChI | InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1 |
| InChIKey | MGQRRMONVLMKJL-KWJIQSIXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Elsamicin A (CHEBI:222664) is a benzochromenone (CHEBI:64986) |
| Elsamicin A (CHEBI:222664) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione |